1,4-diazepan-1-yl-[3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[3-nitro-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]methanone Openeye Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]methanone CAS Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]methanone Traditional Name: 1,4-diazepan-1-yl-[3-nitro-4-[4-(2-thenoyl)piperazino]phenyl]methanone Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S/c27-20(24-8-2-6-22-7-9-24)16-4-5-17(18(15-16)26(29)30)23-10-12-25(13-11-23)21(28)19-3-1-14-31-19/h1,3-5,14-15,22H,2,6-13H2